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ChemRN: Molecular Properties (Topic)

187 Total downloads

Viewing: 1 - 14 of 14 papers

1.

Surface Tension of Aluminum Oxide: A Molecular Dynamics Study

Number of pages: 28 Posted: 16 Apr 2021
Working Paper Series
KU Leuven - Department of Materials Engineering, KU Leuven - Department of Materials Engineering, KU Leuven - Department of Materials Engineering, KU Leuven - Department of Materials Engineering, KU Leuven - Department of Materials Engineering and KU Leuven - Department of Materials Engineering
Downloads 44
2.

The Ignored Effects of Vibrational Entropy and Electrocaloric Effect in PbTiO 3 and PbZr 0.5Ti 0.5O 3 as Studied Through First-Principles Calculation

Number of pages: 28 Posted: 16 Oct 2019
Working Paper Series
Southeast University - Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, Southeast University - Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, Southeast University - Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, Southeast University - Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, Southeast University - Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments and University of California, Berkeley - Department of Mechanical Engineering
Downloads 31
3.

A Giant Spin Molecule with Ninety-Six Parallel Unpaired Electrons

Number of pages: 8 Posted: 19 Nov 2020
Working Paper Series
Xi'an Jiaotong University (XJTU), Xi'an Jiaotong University (XJTU), Xi'an Jiaotong University (XJTU) - Frontier Institute of Science and Technology, Tohoku University, Bielefeld University of Applied Science and Xi'an Jiaotong University (XJTU) - Frontier Institute of Science and Technology
Downloads 25
4.

Solubility Prediction of Pharmaceutical Compounds in Pure Solvent by Different Correlations and Thermodynamic Models

Proceedings of the International Conference on Advances in Chemical Engineering (AdChE) 2020
Number of pages: 12 Posted: 22 Oct 2020
Working Paper Series
Department of Chemical Engineering, University of Petroleum and Energy Studies, Dehradun, 248007, India, Department of Chemical Engineering, University of Petroleum and Energy Studies, Dehradun, 248007, India and Department of Chemical Engineering, University of Petroleum and Energy Studies, Dehradun, 248007, India
Downloads 25
5.

Neutrino Oscillations, Compton Effect and Dynamic Model of a Stationary Universe.

Number of pages: 14 Posted: 02 Oct 2019
Working Paper Series
Independent and Independent
Downloads 20
6.

Magnetic Moment of an Electron, its Spin and de Broglie Oscillations

Number of pages: 6 Posted: 02 Oct 2019
Working Paper Series
Independent and Independent
Downloads 17
7.

Complete Spreading of Liquid Droplets on Heterogeneous Substrates: Simulations and Experiments

Science Direct Working Paper No S1574-0331(04)70337-9
Number of pages: 21 Posted: 31 May 2017 Last Revised: 16 Dec 2017
Working Paper Series
Materia Nova, Université de Mons-Hainaut - Centre de Recherche en Mod´elisation Moleculaire, Université de Mons-Hainaut - Centre de Recherche en Mod´elisation Moleculaire, Université de Mons-Hainaut - Laboratoire de Chimie Organique and Université de Mons-Hainaut - Centre de Recherche en Mod´elisation Moleculaire
Downloads 7
8.

Application of Quantitative Structure-Retention Relationships (Qsrr) to a Set of Organic Bromo and Nitrile Derivatives

Science Direct Working Paper No S1574-0331(04)70395-1
Number of pages: 13 Posted: 31 May 2017 Last Revised: 16 Dec 2017
Working Paper Series
Universidad Nacional de La Plata - Departamento de Quimica, Universidad Nacional de La Plata - Departamento de Quimica and Universidad Nacional de La Plata - Departamento de Quimica
Downloads 5
9.

Data Table, Equation Fit or Interpolation

International Journal of Computational Science and Information Technology (IJCSITY) Vol.7, No.1/2/3/4, November 2019
Number of pages: 8 Posted: 14 Apr 2020
Accepted Paper Series
National Autonomous University of Mexico (UNAM)
Downloads 4
10.

Density Functional Analysis of the Isomers of 3,6-Diphenyl-1, 2, 4, 5-Tetroxane Molecule

Science Direct Working Paper No S1574-0331(04)70080-6
Number of pages: 7 Posted: 24 May 2017 Last Revised: 02 Dec 2017
Working Paper Series
Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA, Universidad Nacional de La Plata - Departamento de Quimica and Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA
Downloads 4
11.

Application of Quantitative Structure-Retention Relationships to Calculate Chromatographic Retention Times of O-Acetylphenyl Esters

Science Direct Working Paper No S1574-0331(04)70083-1
Number of pages: 24 Posted: 24 May 2017 Last Revised: 02 Dec 2017
Working Paper Series
affiliation not provided to SSRN, Universidad Nacional de La Plata - Departamento de Quimica, Universidad Nacional de La Plata - Departamento de Quimica, Universidad Nacional de La Plata - Departamento de Quimica, Universidad Nacional de La Plata - Departamento de Quimica and Universidad Nacional de La Plata - Departamento de Quimica
Downloads 3
12.

Amelorate Qspr Study of Alkyl Hydroperoxides

Science Direct Working Paper No S1574-0331(04)70459-2
Number of pages: 8 Posted: 30 May 2017 Last Revised: 23 Dec 2017
Working Paper Series
Universidad Nacional de La Plata - Departamento de Quimica, Universidad Nacional de La Plata - Departamento de Quimica and Universidad Nacional de La Plata - Departamento de Quimica
Downloads 2
13.

Biocomputational Approach for the Effective Treatment of Alzheimer’s Disease

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 03 Feb 2020
Working Paper Series
Basaveshwar Engineering College
14.

Building Quantum Calculation-Based Protein Polarization Effect Into Protein-Inhibitor Binding Dynamics for Lead Molecule Prioritization

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 30 Jan 2020
Working Paper Series
University of Delhi and University of Delhi